While tabular classification has traditionally relied on from-scratch training, a recent breakthrough called prior-data fitted networks (PFNs) challenges this approach. Similar to large language models, PFNs make use of pretraining and in-context learning to achieve strong performance on new tasks in a single forward pass. However, current PFNs have limitations that prohibit their widespread adoption. Notably, TabPFN achieves very strong performance on small tabular datasets but is not designed to make predictions for datasets of size larger than 1000. In this work, we overcome these limitations and substantially improve the performance of PFNs via context optimization. We introduce TuneTables, a parameter-efficient fine-tuning strategy for PFNs that compresses large datasets into a smaller learned context. We conduct extensive experiments on 19 algorithms over 98 datasets and find that TuneTables achieves the best performance on average, outperforming boosted trees such as CatBoost, while optimizing fewer than 5% of TabPFN's parameters. Furthermore, we show that TuneTables can be used as an interpretability tool and can even be used to mitigate biases by optimizing a fairness objective. We open-source our code and raw results at https://github.com/penfever/TuneTables.
Foundation models are transforming machine learning across many modalities, with in-context learning replacing classical model training. Recent work on tabular data hints at a similar opportunity to build foundation models for classification for numerical data. However, existing meta-learning approaches can not compete with tree-based methods in terms of inference time. In this paper, we propose MotherNet, a hypernetwork architecture trained on synthetic classification tasks that, once prompted with a never-seen-before training set generates the weights of a trained ``child'' neural-network by in-context learning using a single forward pass. In contrast to most existing hypernetworks that are usually trained for relatively constrained multi-task settings, MotherNet can create models for multiclass classification on arbitrary tabular datasets without any dataset specific gradient descent. The child network generated by MotherNet outperforms neural networks trained using gradient descent on small datasets, and is comparable to predictions by TabPFN and standard ML methods like Gradient Boosting. Unlike a direct application of TabPFN, MotherNet generated networks are highly efficient at inference time. We also demonstrate that HyperFast is unable to perform effective in-context learning on small datasets, and heavily relies on dataset specific fine-tuning and hyper-parameter tuning, while MotherNet requires no fine-tuning or per-dataset hyper-parameters.
Tabular classification has traditionally relied on supervised algorithms, which estimate the parameters of a prediction model using its training data. Recently, Prior-Data Fitted Networks (PFNs) such as TabPFN have successfully learned to classify tabular data in-context: the model parameters are designed to classify new samples based on labelled training samples given after the model training. While such models show great promise, their applicability to real-world data remains limited due to the computational scale needed. Here we study the following question: given a pre-trained PFN for tabular data, what is the best way to summarize the labelled training samples before feeding them to the model? We conduct an initial investigation of sketching and feature-selection methods for TabPFN, and note certain key differences between it and conventionally fitted tabular models.
The field of explainable artificial intelligence (XAI) aims to explain how black-box machine learning models work. Much of the work centers around the holy grail of providing post-hoc feature attributions to any model architecture. While the pace of innovation around novel methods has slowed down, the question remains of how to choose a method, and how to make it fit for purpose. Recently, efforts around benchmarking XAI methods have suggested metrics for that purpose -- but there are many choices. That bounty of choice still leaves an end user unclear on how to proceed. This paper focuses on comparing metrics with the aim of measuring faithfulness of local explanations on tabular classification problems -- and shows that the current metrics don't agree; leaving users unsure how to choose the most faithful explanations.
Recent literature has suggested the potential of using large language models (LLMs) to make classifications for tabular tasks. However, LLMs have been shown to exhibit harmful social biases that reflect the stereotypes and inequalities present in society. To this end, as well as the widespread use of tabular data in many high-stake applications, it is important to explore the following questions: what sources of information do LLMs draw upon when making classifications for tabular tasks; whether and to what extent are LLM classifications for tabular data influenced by social biases and stereotypes; and what are the consequential implications for fairness? Through a series of experiments, we delve into these questions and show that LLMs tend to inherit social biases from their training data which significantly impact their fairness in tabular classification tasks. Furthermore, our investigations show that in the context of bias mitigation, though in-context learning and finetuning have a moderate effect, the fairness metric gap between different subgroups is still larger than that in traditional machine learning models, such as Random Forest and shallow Neural Networks. This observation emphasizes that the social biases are inherent within the LLMs themselves and inherited from their pretraining corpus, not only from the downstream task datasets. Besides, we demonstrate that label-flipping of in-context examples can significantly reduce biases, further highlighting the presence of inherent bias within LLMs.
Dealing with label noise in tabular classification tasks poses a persistent challenge in machine learning. While robust boosting methods have shown promise in binary classification, their effectiveness in complex, multi-class scenarios is often limited. Additionally, issues like imbalanced datasets, missing values, and computational inefficiencies further complicate their practical utility. This study introduces Robust-GBDT, a groundbreaking approach that combines the power of Gradient Boosted Decision Trees (GBDT) with the resilience of nonconvex loss functions against label noise. By leveraging local convexity within specific regions, Robust-GBDT demonstrates unprecedented robustness, challenging conventional wisdom. Through seamless integration of advanced GBDT with a novel Robust Focal Loss tailored for class imbalance, Robust-GBDT significantly enhances generalization capabilities, particularly in noisy and imbalanced datasets. Notably, its user-friendly design facilitates integration with existing open-source code, enhancing computational efficiency and scalability. Extensive experiments validate Robust-GBDT's superiority over other noise-robust methods, establishing a new standard for accurate classification amidst label noise. This research heralds a paradigm shift in machine learning, paving the way for a new era of robust and precise classification across diverse real-world applications.
As a modern ensemble technique, Deep Forest (DF) employs a cascading structure to construct deep models, providing stronger representational power compared to traditional decision forests. However, its greedy multi-layer learning procedure is prone to overfitting, limiting model effectiveness and generalizability. This paper presents an optimized Deep Forest, featuring learnable, layerwise data augmentation policy schedules. Specifically, We introduce the Cut Mix for Tabular data (CMT) augmentation technique to mitigate overfitting and develop a population-based search algorithm to tailor augmentation intensity for each layer. Additionally, we propose to incorporate outputs from intermediate layers into a checkpoint ensemble for more stable performance. Experimental results show that our method sets new state-of-the-art (SOTA) benchmarks in various tabular classification tasks, outperforming shallow tree ensembles, deep forests, deep neural network, and AutoML competitors. The learned policies also transfer effectively to Deep Forest variants, underscoring its potential for enhancing non-differentiable deep learning modules in tabular signal processing.
In modern deep learning, algorithmic choices (such as width, depth, and learning rate) are known to modulate nuanced resource tradeoffs. This work investigates how these complexities necessarily arise for feature learning in the presence of computational-statistical gaps. We begin by considering offline sparse parity learning, a supervised classification problem which admits a statistical query lower bound for gradient-based training of a multilayer perceptron. This lower bound can be interpreted as a multi-resource tradeoff frontier: successful learning can only occur if one is sufficiently rich (large model), knowledgeable (large dataset), patient (many training iterations), or lucky (many random guesses). We show, theoretically and experimentally, that sparse initialization and increasing network width yield significant improvements in sample efficiency in this setting. Here, width plays the role of parallel search: it amplifies the probability of finding "lottery ticket" neurons, which learn sparse features more sample-efficiently. Finally, we show that the synthetic sparse parity task can be useful as a proxy for real problems requiring axis-aligned feature learning. We demonstrate improved sample efficiency on tabular classification benchmarks by using wide, sparsely-initialized MLP models; these networks sometimes outperform tuned random forests.
There have been many papers with algorithms for improving fairness of machine-learning classifiers for tabular data. Unfortunately, most use only very few datasets for their experimental evaluation. We introduce a suite of functions for fetching 20 fairness datasets and providing associated fairness metadata. Hopefully, these will lead to more rigorous experimental evaluations in future fairness-aware machine learning research.
We present Re-weighted Gradient Descent (RGD), a novel optimization technique that improves the performance of deep neural networks through dynamic sample re-weighting. Leveraging insights from distributionally robust optimization (DRO) with Kullback-Leibler divergence, our method dynamically assigns importance weights to training data during each optimization step. RGD is simple to implement, computationally efficient, and compatible with widely used optimizers such as SGD and Adam. We demonstrate the effectiveness of RGD on various learning tasks, including supervised learning, meta-learning, and out-of-domain generalization. Notably, RGD achieves state-of-the-art results on diverse benchmarks, with improvements of +0.7% on DomainBed, +1.44% on tabular classification, \textcolor{blue}+1.94% on GLUE with BERT, and +1.01% on ImageNet-1K with ViT.
We study the application of large language models to zero-shot and few-shot classification of tabular data. We prompt the large language model with a serialization of the tabular data to a natural-language string, together with a short description of the classification problem. In the few-shot setting, we fine-tune the large language model using some labeled examples. We evaluate several serialization methods including templates, table-to-text models, and large language models. Despite its simplicity, we find that this technique outperforms prior deep-learning-based tabular classification methods on several benchmark datasets. In most cases, even zero-shot classification obtains non-trivial performance, illustrating the method's ability to exploit prior knowledge encoded in large language models. Unlike many deep learning methods for tabular datasets, this approach is also competitive with strong traditional baselines like gradient-boosted trees, especially in the very-few-shot setting.
Given a labeled training set and a collection of unlabeled data, the goal of active learning (AL) is to identify the best unlabeled points to label. In this comprehensive study, we analyze the performance of a variety of AL algorithms on deep neural networks trained on 69 real-world tabular classification datasets from the OpenML-CC18 benchmark. We consider different data regimes and the effect of self-supervised model pre-training. Surprisingly, we find that the classical margin sampling technique matches or outperforms all others, including current state-of-art, in a wide range of experimental settings. To researchers, we hope to encourage rigorous benchmarking against margin, and to practitioners facing tabular data labeling constraints that hyper-parameter-free margin may often be all they need.
Tabular data is the foundation of the information age and has been extensively studied. Recent studies show that neural-based models are effective in learning contextual representation for tabular data. The learning of an effective contextual representation requires meaningful features and a large amount of data. However, current methods often fail to properly learn a contextual representation from the features without semantic information. In addition, it's intractable to enlarge the training set through mixed tabular datasets due to the difference between datasets. To address these problems, we propose a novel framework PTab, using the Pre-trained language model to model Tabular data. PTab learns a contextual representation of tabular data through a three-stage processing: Modality Transformation(MT), Masked-Language Fine-tuning(MF), and Classification Fine-tuning(CF). We initialize our model with a pre-trained Model (PTM) which contains semantic information learned from the large-scale language data. Consequently, contextual representation can be learned effectively during the fine-tuning stages. In addition, we can naturally mix the textualized tabular data to enlarge the training set to further improve representation learning. We evaluate PTab on eight popular tabular classification datasets. Experimental results show that our method has achieved a better average AUC score in supervised settings compared to the state-of-the-art baselines(e.g. XGBoost), and outperforms counterpart methods under semi-supervised settings. We present visualization results that show PTab has well instance-based interpretability.
We propose a novel high-performance, interpretable, and parameter \& computationally efficient deep learning architecture for tabular data, Gated Adaptive Network for Deep Automated Learning of Features (GANDALF). GANDALF relies on a new tabular processing unit with a gating mechanism and in-built feature selection called Gated Feature Learning Unit (GFLU) as a feature representation learning unit. We demonstrate that GANDALF outperforms or stays at-par with SOTA approaches like XGBoost, SAINT, FT-Transformers, etc. by experiments on multiple established public benchmarks. We have made available the code at github.com/manujosephv/pytorch_tabular under MIT License.
We present TabPFN, a trained Transformer that can do supervised classification for small tabular datasets in less than a second, needs no hyperparameter tuning and is competitive with state-of-the-art classification methods. TabPFN performs in-context learning (ICL), it learns to make predictions using sequences of labeled examples (x, f(x)) given in the input, without requiring further parameter updates. TabPFN is fully entailed in the weights of our network, which accepts training and test samples as a set-valued input and yields predictions for the entire test set in a single forward pass. TabPFN is a Prior-Data Fitted Network (PFN) and is trained offline once, to approximate Bayesian inference on synthetic datasets drawn from our prior. This prior incorporates ideas from causal reasoning: It entails a large space of structural causal models with a preference for simple structures. On the 18 datasets in the OpenML-CC18 suite that contain up to 1 000 training data points, up to 100 purely numerical features without missing values, and up to 10 classes, we show that our method clearly outperforms boosted trees and performs on par with complex state-of-the-art AutoML systems with up to 230$\times$ speedup. This increases to a 5 700$\times$ speedup when using a GPU. We also validate these results on an additional 67 small numerical datasets from OpenML. We provide all our code, the trained TabPFN, an interactive browser demo and a Colab notebook at https://github.com/automl/TabPFN.
There is an increasing interest in the application of deep learning architectures to tabular data. One of the state-of-the-art solutions is TabTransformer which incorporates an attention mechanism to better track relationships between categorical features and then makes use of a standard MLP to output its final logits. In this paper we propose multiple modifications to the original TabTransformer performing better on binary classification tasks for three separate datasets with more than 1% AUROC gains. Inspired by gated MLP, linear projections are implemented in the MLP block and multiple activation functions are tested. We also evaluate the importance of specific hyper parameters during training.
Counterfactual explanation methods interpret the outputs of a machine learning model in the form of "what-if scenarios" without compromising the fidelity-interpretability trade-off. They explain how to obtain a desired prediction from the model by recommending small changes to the input features, aka recourse. We believe an actionable recourse should be created based on sound counterfactual explanations originating from the distribution of the ground-truth data and linked to the domain knowledge. Moreover, it needs to preserve the coherency between changed/unchanged features while satisfying user/domain-specified constraints. This paper introduces CARE, a modular explanation framework that addresses the model- and user-level desiderata in a consecutive and structured manner. We tackle the existing requirements by proposing novel and efficient solutions that are formulated in a multi-objective optimization framework. The designed framework enables including arbitrary requirements and generating counterfactual explanations and actionable recourse by choice. As a model-agnostic approach, CARE generates multiple, diverse explanations for any black-box model in tabular classification and regression settings. Several experiments on standard data sets and black-box models demonstrate the effectiveness of our modular framework and its superior performance compared to the baselines.
Self-supervised contrastive representation learning has proved incredibly successful in the vision and natural language domains, enabling state-of-the-art performance with orders of magnitude less labeled data. However, such methods are domain-specific and little has been done to leverage this technique on real-world tabular datasets. We propose SCARF, a simple, widely-applicable technique for contrastive learning, where views are formed by corrupting a random subset of features. When applied to pre-train deep neural networks on the 69 real-world, tabular classification datasets from the OpenML-CC18 benchmark, SCARF not only improves classification accuracy in the fully-supervised setting but does so also in the presence of label noise and in the semi-supervised setting where only a fraction of the available training data is labeled. We show that SCARF complements existing strategies and outperforms alternatives like autoencoders. We conduct comprehensive ablations, detailing the importance of a range of factors.
The existing literature on deep learning for tabular data proposes a wide range of novel architectures and reports competitive results on various datasets. However, the proposed models are usually not properly compared to each other and existing works often use different benchmarks and experiment protocols. As a result, it is unclear for both researchers and practitioners what models perform best. Additionally, the field still lacks effective baselines, that is, the easy-to-use models that provide competitive performance across different problems. In this work, we perform an overview of the main families of DL architectures for tabular data and raise the bar of baselines in tabular DL by identifying two simple and powerful deep architectures. The first one is a ResNet-like architecture which turns out to be a strong baseline that is often missing in prior works. The second model is our simple adaptation of the Transformer architecture for tabular data, which outperforms other solutions on most tasks. Both models are compared to many existing architectures on a diverse set of tasks under the same training and tuning protocols. We also compare the best DL models with Gradient Boosted Decision Trees and conclude that there is still no universally superior solution.
We propose TabTransformer, a novel deep tabular data modeling architecture for supervised and semi-supervised learning. The TabTransformer is built upon self-attention based Transformers. The Transformer layers transform the embeddings of categorical features into robust contextual embeddings to achieve higher prediction accuracy. Through extensive experiments on fifteen publicly available datasets, we show that the TabTransformer outperforms the state-of-the-art deep learning methods for tabular data by at least 1.0% on mean AUC, and matches the performance of tree-based ensemble models. Furthermore, we demonstrate that the contextual embeddings learned from TabTransformer are highly robust against both missing and noisy data features, and provide better interpretability. Lastly, for the semi-supervised setting we develop an unsupervised pre-training procedure to learn data-driven contextual embeddings, resulting in an average 2.1% AUC lift over the state-of-the-art methods.